1-(1,3-benzodioxol-5-yl)-3-(2-nitrophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-nitrophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-nitrophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-nitrophenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-nitrophenyl)thiourea Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S/c18-17(19)11-4-2-1-3-10(11)16-14(22)15-9-5-6-12-13(7-9)21-8-20-12/h1-7H,8H2,(H2,15,16,22)